(4-bromophenyl)methyl (2R)-2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-bromophenyl)methyl (2R)-2-(ethanoylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-bromophenyl)methyl (2R)-2-(acetylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-[(acetylthio)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (2R)-2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-2-[(acetylthio)methyl]-4-keto-4-(p-tolyl)butyric acid (4-bromobenzyl) ester Formula: C21H21BrO4S MolecularWeight: 449.35804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](CSC(=O)C)C(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H21BrO4S/c1-14-3-7-17(8-4-14)20(24)11-18(13-27-15(2)23)21(25)26-12-16-5-9-19(22)10-6-16/h3-10,18H,11-13H2,1-2H3/t18-/m0/s1